Experts and Doctors on x ray crystallography in Beijing, China


Locale: Beijing, China
Topic: x ray crystallography

Top Publications

  1. Zhang H, Wang G, Ding Y, Wang Z, Barraclough R, Rudland P, et al. The crystal structure at 2A resolution of the Ca2+ -binding protein S100P. J Mol Biol. 2003;325:785-94 pubmed
    ..The effect of mutation of specific amino acids suggests that dimerization in vivo can be affected by amino acids on the dimer interface and in the hydrophobic core. ..
  2. Yang M, Zhou W, Zhang X, Hu W, Gao F, Pang H, et al. Crystallization and preliminary crystallographic analysis of extracellular fragment X3 of YWK-II/APPH: a human sperm membrane protein related to the Alzheimer betaA4-amyloid precursor protein. Acta Crystallogr D Biol Crystallogr. 2003;59:506-8 pubmed
    ..2, b = 44.0, c = 88.3 A, alpha = gamma = 90.0, beta = 103.6 degrees. The presence of one molecule per asymmetric unit gives a crystal Volume per protein mass (V(M)) of 2.8 A(3) Da(-1) and a solvent content of 56.4% by Volume. ..
  3. Li X, Liu X, Zhao Q, Liu Y, Duan X, Rao Z. Crystallization and preliminary crystallographic studies of human coactosin-like protein (CLP). Acta Crystallogr D Biol Crystallogr. 2004;60:2387-8 pubmed
    ..5. Diffraction data to 1.9 A resolution were collected from a crystal belonging to space group P2(1), with unit-cell parameters a = 25.6, b = 55.2, c = 37.4 A, beta = 96.0 degrees. There is one molecule per asymmetric unit. ..
  4. Liang P, Wang H, Chen H, Cui Y, Gu L, Chai J, et al. Structural Insights into KChIP4a Modulation of Kv4.3 Inactivation. J Biol Chem. 2009;284:4960-7 pubmed publisher
    ..3, can confer slow inactivation. We propose that N-terminal binding of Kv4.3 to the core of KChIP4a mobilizes the KChIP4a N terminus, which serves as the slow inactivation gate. ..
  5. Zhang Q, Peng H, Gao F, Liu Y, Cheng H, Thompson J, et al. Structural insight into the catalytic mechanism of gluconate 5-dehydrogenase from Streptococcus suis: Crystal structures of the substrate-free and quaternary complex enzymes. Protein Sci. 2009;18:294-303 pubmed publisher
    ..Because Ga5DH is a potential target for therapy, our findings provide insight not only of catalytic mechanism, but also suggest a target of structure-based drug design. ..
  6. Hao Q, Yin P, Yan C, Yuan X, Li W, Zhang Z, et al. Functional mechanism of the abscisic acid agonist pyrabactin. J Biol Chem. 2010;285:28946-52 pubmed publisher
    ..The study provides a framework for the development of novel ABA agonists that may have applicable potentials in agriculture. ..
  7. Yuan X, Yin P, Hao Q, Yan C, Wang J, Yan N. Single amino acid alteration between valine and isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2. J Biol Chem. 2010;285:28953-8 pubmed publisher
    ..These characterizations provide an important clue to dissecting the redundancy of PYL proteins. ..
  8. Kou H, Hu K, Zhao H, Tang J, Cui A. Multi-component synthesis of trimetallic tetranuclear clusters [Cu(L)(H(2)O)](2)Ln(H(2)O)(2)Cr(C(2)O(4))(3).12H(2)O (H(2)L = 1,4,8,11-tetraazacyclotradecane-2,3-dione, Ln(3+) = Gd, Tb and Dy). Chem Commun (Camb). 2010;46:6533-5 pubmed publisher
    ..Overall ferromagnetic properties have been observed in the Cu(2)GdCr compound, and no single-magnet behavior has been found in the Cu(2)TbCr and Cu(2)DyCr compounds...
  9. Chen Q, Liang Y, Su X, Gu X, Zheng X, Luo M. Alternative IMP binding in feedback inhibition of hypoxanthine-guanine phosphoribosyltransferase from Thermoanaerobacter tengcongensis. J Mol Biol. 2005;348:1199-210 pubmed
    ..tengcongensis HGPRT is compared with those of mesophilic HPRTs, and several possible features contributing to its thermostability are elucidated. Overall, T.tengcongensis HGPRT appears to be more diverged from other PRTs...

More Information

Publications150 found, 100 shown here

  1. Duan M, Nan J, Liang Y, Mao P, Lu L, Li L, et al. DNA binding mechanism revealed by high resolution crystal structure of Arabidopsis thaliana WRKY1 protein. Nucleic Acids Res. 2007;35:1145-54 pubmed
    ..These results provided us with structural information to understand the mechanism of transcriptional control and signal transduction events of the WRKY proteins. ..
  2. Geng M, Zhang D, Wu X, He L, Gong B. One-pot formation and characterization of macrocyclic aromatic tetrasulfonates. Org Lett. 2009;11:923-6 pubmed publisher
    ..Incorporating aromatic residues of different sizes leads to macrocycles with different cavity sizes. ..
  3. Fu G, Wu J, Zhu D, Hu Y, Bi L, Zhang X, et al. Crystallization and preliminary crystallographic studies of Mycobacterium tuberculosis DNA gyrase B C-terminal domain, part of the enzyme reaction core. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009;65:350-2 pubmed publisher
    ..8 and 3.0 A, respectively. These crystals belonged to space group P2(1)2(1)2(1) with similar unit-cell parameters. The native protein crystals had unit-cell parameters a = 52.831, b = 52.763, c = 192.579 A. ..
  4. Xu J, Li L, Yin G, Li H, Du W. Ligand orientation of human neuroglobin obtained from solution NMR and molecular dynamics simulation as compared with X-ray crystallography. J Inorg Biochem. 2009;103:1693-701 pubmed publisher
    ..Compared with mouse neuroglobin, the obtained average ligand orientation of human neuroglobin reflects the changeability of heme environment for the Ngb family. ..
  5. Wang F, Xia X, Sui S. Human apolipoprotein H may have various orientations when attached to lipid layer. Biophys J. 2002;83:985-93 pubmed
    ..The variation of the spatial state of ApoH on the lipid layer may relate to a variety of its physiological functions. ..
  6. Li M, Liu M, Legall J, Gui L, Liao J, Jiang T, et al. Crystal structure studies on rubrerythrin: enzymatic activity in relation to the zinc movement. J Biol Inorg Chem. 2003;8:149-55 pubmed publisher
    ..This finding can explain the differences between the two different structures. The results suggest that the zinc movement may be related to the enzymatic activity of Rr...
  7. Li P, Ding Y, Wu B, Shu C, Shen B, Rao Z. Structure of the N-terminal domain of human FKBP52. Acta Crystallogr D Biol Crystallogr. 2003;59:16-22 pubmed
    ..The N-terminal region and beta-sheets of FKBP52-N forms a hydrophobic patch which may be responsible for the binding of target proteins such as dynein or PAHX. ..
  8. Yang M, Liu B, Zhang X, Zhou W, Gao F, Pang H, et al. Crystallization and preliminary crystallographic analysis of a partial extracellular fragment of a sperm membrane protein YWK-II/APPH related to the Alzheimer betaA4-amyloid precursor protein. Acta Crystallogr D Biol Crystallogr. 2003;59:146-9 pubmed
    ..51 A(3) Da(-1) and a solvent content of 64.6% by Volume. A full set of X-ray diffraction data were collected to 2.8 A resolution from the native crystal. ..
  9. Ding Y, Too H, Wang Z, Liu Y, Bartlam M, Dong Y, et al. The structural basis of Trp192 and the C-terminal region in trichosanthin for activity and conformational stability. Protein Eng. 2003;16:351-6 pubmed
    ..This suggests that Trp192 can affect the ribosome-inactivating activity of TCS. ..
  10. Shi N, Ye S, Bartlam M, Yang M, Wu J, Liu Y, et al. Structural basis for the specific recognition of RET by the Dok1 phosphotyrosine binding domain. J Biol Chem. 2004;279:4962-9 pubmed
    ..The structures reveal the molecular basis for the specific recognition of RET by the Dok1 PTB domain. We also show that Dok1 does not recognize peptide sequences from TrkA and IL-4, which are recognized by Shc and IRS1, respectively. ..
  11. Xu Y, Su N, Qin L, Bai Z, Gao G, Rao Z. Crystallization and preliminary crystallographic analysis of the heptad-repeat complex of SARS coronavirus spike protein. Acta Crystallogr D Biol Crystallogr. 2004;60:2377-9 pubmed
    ..2, b = 66.3, c = 70.0 A, alpha = gamma = 90, beta = 107.4 degrees and belong to space group C2. Assuming the presence of six molecules per asymmetric unit, the solvent content is estimated to be about 28%. ..
  12. Wang Y, Wei Z, Liu L, Cheng Z, Lin Y, Ji F, et al. Crystal structure of human B-type phosphoglycerate mutase bound with citrate. Biochem Biophys Res Commun. 2005;331:1207-15 pubmed
    ..Based on the structural information, the possible reasons for the deficient human dPGM mutations found in some patients are also discussed. ..
  13. Sun F, Huo X, Zhai Y, Wang A, Xu J, Su D, et al. Crystal structure of mitochondrial respiratory membrane protein complex II. Cell. 2005;121:1043-57 pubmed
    ..The Complex II structure provides a bona fide model for study of the mitochondrial respiratory system and human mitochondrial diseases related to mutations in this complex. ..
  14. Li S, Hong X, Shi Y, Li H, Wang C. Annular arrangement and collaborative actions of four domains of protein-disulfide isomerase: a small angle X-ray scattering study in solution. J Biol Chem. 2006;281:6581-8 pubmed
    ..The annular model of PDI accounted for the cooperative properties of the four domains in both the isomerase and chaperone functions of PDI. ..
  15. Li M, Meng Z, Xu Y, Lou Z, Rao Z. Crystallization and preliminary X-ray crystallographic analysis of osteoclast-stimulating factor. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005;61:128-30 pubmed
    ..The crystals are primitive orthorhombic and belong to P222 or a related space group, with unit-cell parameters a = 38.1, b = 54.9, c = 64.7 A. ..
  16. Han Z, Guo L, Wang H, Shen Y, Deng X, Chai J. Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5. Mol Cell. 2006;22:137-44 pubmed
    ..Both structural and biochemical studies presented here suggest another mode of recognition for the methylated histone tail. ..
  17. Zhou J, Yuan G, Liu J, Zhan C. Formation and stability of G-quadruplexes self-assembled from guanine-rich strands. Chemistry. 2007;13:945-9 pubmed
  18. Chu F, Lou Z, Chen Y, Liu Y, Gao B, Zong L, et al. First glimpse of the peptide presentation by rhesus macaque MHC class I: crystal structures of Mamu-A*01 complexed with two immunogenic SIV epitopes and insights into CTL escape. J Immunol. 2007;178:944-52 pubmed
    ..The results we present in this study are most relevant for the rational design of Mamu-A*01-restricted CTL epitopes with improved binding, as a step toward development of AIDS vaccines...
  19. Shi L, Liu J, An X, Liang D. Crystal structure of glycerophosphodiester phosphodiesterase (GDPD) from Thermoanaerobacter tengcongensis, a metal ion-dependent enzyme: insight into the catalytic mechanism. Proteins. 2008;72:280-8 pubmed publisher
  20. Lescop E, Lu Z, Liu Q, Xu H, Li G, Xia B, et al. Dynamics of the conformational transitions in the assembling of the Michaelis complex of a bisubstrate enzyme: a (15)N relaxation study of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Biochemistry. 2009;48:302-12 pubmed publisher
    ..Such dynamic behaviors may be characteristic of bisubstrate enzymes. ..
  21. Zhao C, Lou Z, Guo Y, Ma M, Chen Y, Liang S, et al. Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center. J Virol. 2009;83:9024-30 pubmed publisher
    ..The identification of this binding pocket opens a new avenue for anti-influenza drug discovery, targeting the cap-dependent endonuclease, in response to the worldwide threat of influenza...
  22. Fu H, Luo Y, Li C, Yang J, Zhang D. Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L. Org Lett. 2010;12:656-9 pubmed publisher
    ..Psidial B (2) and C (3) represented the new skeleton of the 3,5-diformylbenzyl phloroglucinol-coupled sesquiterpenoid. A possible biosynthetic pathway for 2-3 was postulated. 2-3 showed activity to enzyme PTP1B in 10 microM...
  23. Gao X, Zhou L, Jiao X, Lu F, Yan C, Zeng X, et al. Mechanism of substrate recognition and transport by an amino acid antiporter. Nature. 2010;463:828-32 pubmed publisher
    ..Structural analysis identified three potential gates, involving four aromatic residues and Glu 208, which may work in concert to differentially regulate the upload and release of Arg and Agm. ..
  24. Li Q, Qi J, Zhang W, Vavricka C, Shi Y, Wei J, et al. The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site. Nat Struct Mol Biol. 2010;17:1266-8 pubmed publisher
    ..In contrast to other characterized N1 neuraminidases, which are all members of group 1, 2009 H1N1 neuraminidase does not have a 150-cavity. ..
  25. Wang E, Sun X, Qian Y, Zhao L, Tien P, Gao G. Both heptad repeats of human respiratory syncytial virus fusion protein are potent inhibitors of viral fusion. Biochem Biophys Res Commun. 2003;302:469-75 pubmed
    ..68 and 2.93 microM, respectively) and they form stable six-helix bundle in vitro with both in the fusion protein form. ..
  26. Han T, Zong Q, Chen C. Complexation of triptycene-based cylindrical macrotricyclic polyether toward diquaternary salts: ion-controlled binding and release of the guests. J Org Chem. 2007;72:3108-11 pubmed
    ..Moreover, it was also found that binding and release of the guest molecules could be easily controlled by the addition and removal of potassium ions. ..
  27. Ren H, Wang L, Bennett M, Liang Y, Zheng X, Lu F, et al. The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus. Proc Natl Acad Sci U S A. 2005;102:303-8 pubmed
    ..The identification of a nuclear-localized AK sheds light on nucleotide metabolism in the nucleus and the energetic communication between mitochondria and nucleus by means of phosphotransfer networks. ..
  28. Dong H, Li X, Lou Z, Xu X, Su D, Zhou X, et al. Crystal-structure and biochemical characterization of recombinant human calcyphosine delineates a novel EF-hand-containing protein family. J Mol Biol. 2008;383:455-64 pubmed publisher
  29. Zhu H, Chen W, Wang C. Docking dinucleotides to HIV-1 integrase carboxyl-terminal domain to find possible DNA binding sites. Bioorg Med Chem Lett. 2005;15:475-7 pubmed
    ..The docking results suggest that two symmetrical DNA-binding sites are likely located on the outside surface of the dimeric C-terminal domain and not located in the groove. Those sites are in agreement with the experimental data. ..
  30. Shen Y, Song S, Lin Z. Structures of D-glyceraldehyde-3-phosphate dehydrogenase complexed with coenzyme analogues. Acta Crystallogr D Biol Crystallogr. 2002;58:1287-97 pubmed
    ..A novel type of domain motion is observed for the binding of the coenzyme analogues to GAPDH. The possible conformational transitions involved in the coenzyme binding and the important role of the nicotinamide group are discussed...
  31. Yu S, Jiao Q, Li S, Huang H, Li Y, Pan Y, et al. Self-assembly of tripyrazolate-linked macrotricyclic M(12)L(4) cages with dimetallic clips. Org Lett. 2007;9:1379-82 pubmed
  32. Liu J, Wang X, Wang Z, Chen J, Jiang T, An X, et al. Crystal structure of KD93, a novel protein expressed in human hematopoietic stem/progenitor cells. J Struct Biol. 2004;148:370-4 pubmed
    ..The high-resolution structure of KD93 provides a first view of a member of the family of hypothetical proteins. And the structure provides a framework to deduce and assay the molecular function of other proteins of the UPF0113 family. ..
  33. Feng Y, Yao H, Wang J. Crystal structure of the crenarchaeal conserved chromatin protein Cren7 and double-stranded DNA complex. Protein Sci. 2010;19:1253-7 pubmed publisher
  34. Zhu Y, Hu L, Zhou Y, Yao Q, Liu L, Shao F. Structural mechanism of host Rab1 activation by the bifunctional Legionella type IV effector SidM/DrrA. Proc Natl Acad Sci U S A. 2010;107:4699-704 pubmed publisher
    ..Further biochemical and structural analyses reveal a unique mechanism of coupled GDP release and GDI displacement likely triggered by the SidM-induced drastic displacement of switch I of Rab1. ..
  35. Zhao W, Zhan X, Gao X, Liu X, Zhang Y, Lin J, et al. Preliminary X-ray crystallographic analysis of SMU.2055 protein from the caries pathogen Streptococcus mutans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010;66:530-3 pubmed publisher
    ..The crystals belong to the orthorhombic space group C222(1), with unit-cell parameters a = 92.0, b = 95.0, c = 192.2 A. The asymmetric unit contained four molecules, with a solvent content of 57.1%. ..
  36. Li M, Kwok F, Chang W, Lau C, Zhang J, Lo S, et al. Crystal structure of brain pyridoxal kinase, a novel member of the ribokinase superfamily. J Biol Chem. 2002;277:46385-90 pubmed publisher
  37. Zhao Q, Qin L, Jiang F, Wu B, Yue W, Xu F, et al. Structure of human spindlin1. Tandem tudor-like domains for cell cycle regulation. J Biol Chem. 2007;282:647-56 pubmed
    ..We further identified associations of spindlin1 with nucleic acid to provide a biochemical basis for its cell cycle regulation and other functions. ..
  38. Lu L, Nan J, Mi W, Li L, Wei C, Su X, et al. Crystal structure of tubulin folding cofactor A from Arabidopsis thaliana and its beta-tubulin binding characterization. FEBS Lett. 2010;584:3533-9 pubmed publisher
    ..Unlike the budding yeast TFC A, the two loop regions of KIS are not required for this interaction suggesting a distinct binding mechanism of TFC A to beta-tubulin in plants. ..
  39. Liu H, Zhou H, Xing W, Zhao J, Li S, Huang J, et al. 2.6 A resolution crystal structure of the bacterioferritin from Azotobacter vinelandii. FEBS Lett. 2004;573:93-8 pubmed
    ..Ba2+ binding to the fourfold channel implicates that the channel bears Fe2+ conductivity and selectivity to provide a route for iron access to the inner cavity during core formation. ..
  40. Rao Z. YjjX: from structure "Tu" function. Structure. 2005;13:1401-2 pubmed
    ..It has been shown by structural analysis that YjjX, a hypothetical protein in E. coli, is an ITPase/XTPase and suggest that it may play dual roles in prokaryotic translational regulation and oxidative cell stress response. ..
  41. Chen W, Gao F, Chu F, Zhang J, Gao G, Xia C. Crystal structure of a bony fish beta2-microglobulin: insights into the evolutionary origin of immunoglobulin superfamily constant molecules. J Biol Chem. 2010;285:22505-12 pubmed publisher
    ..A mutation in the BC loops of Amphi-VCPC may have led to the novel topology found in beta2m. Based on these results, Ctid-beta2m may well reflect evolutionary characteristics of ancestral C set molecules. ..
  42. Hu W, Wang Q, Bi R. Preparation, crystallization and preliminary X-ray crystallographic studies of diadenosine tetraphosphate hydrolase from Shigella flexneri 2a. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005;61:1078-80 pubmed
    ..Ap4A hydrolase crystals diffract X-rays to 3.26 A and belong to space group P2(1), with unit-cell parameters a = 118.9, b = 54.6, c = 128.5 A, beta = 95.7 degrees. ..
  43. Li D, Liu C, Liang Y, Li L, Su X. Crystal structure of B. subtilis YjcG characterizing the YjcG-like group of 2H phosphoesterase superfamily. Proteins. 2008;72:1071-6 pubmed publisher
  44. Lei J, Zhou Y, Li L, Su X. Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis. Protein Sci. 2009;18:1792-800 pubmed publisher
    ..These proteins also showed broad catalytic activity on many standard substrates of AKR, such as glyoxal, dihydroxyacetone, and DL-glyceraldehyde, suggesting a possible role in bacterial detoxification...
  45. Nan B, Zhou Y, Liang Y, Wen J, Ma Q, Zhang S, et al. Purification and preliminary X-ray crystallographic analysis of the ligand-binding domain of Sinorhizobium meliloti DctB. Biochim Biophys Acta. 2006;1764:839-41 pubmed publisher
    ..3 A resolution and belonged to P42 space group with unit cell dimensions of a = b = 71.77 A, c = 227.14 A. The asymmetric unit contains four molecules with a corresponding VM of 2.4 A3 Da(-1) and a solvent content of 49.1%...
  46. Liu Z, Lin H, Ye S, Liu Q, Meng Z, Zhang C, et al. Remarkably high activities of testicular cytochrome c in destroying reactive oxygen species and in triggering apoptosis. Proc Natl Acad Sci U S A. 2006;103:8965-70 pubmed
    ..Thus, it is very likely that T-Cc has evolved to guarantee the biological integrity of sperm produced in mammalian testis. ..
  47. Liu Y, Xu Y, Lou Z, Zhu J, Hu X, Gao G, et al. Structural characterization of mumps virus fusion protein core. Biochem Biophys Res Commun. 2006;348:916-22 pubmed
    ..The similar characterization in HR1 regions, as well as the existence of O-X-O motif in extended regions of HR2 helix, suggests a basic rule for the formation of the fusion core of viral fusion proteins. ..
  48. Hu Y, Fan C, Fu G, Zhu D, Jin Q, Wang D. Crystal structure of a glutamate/aspartate binding protein complexed with a glutamate molecule: structural basis of ligand specificity at atomic resolution. J Mol Biol. 2008;382:99-111 pubmed publisher
    ..We have identified structural features of DEBP that determine its ability of binding glutamate and aspartate, two molecules with different sizes, but discriminating against very similar glutamine and asparagine molecules. ..
  49. Yin P, Fan H, Hao Q, Yuan X, Wu D, Pang Y, et al. Structural insights into the mechanism of abscisic acid signaling by PYL proteins. Nat Struct Mol Biol. 2009;16:1230-6 pubmed publisher
    ..In the ternary complex, the CL2 loop is located near the active site of ABI1, blocking the entry of substrate proteins. Together, our data reveal the mechanisms by which ABA regulates PYL-mediated inhibition of PP2Cs. ..
  50. Wang Y, Huang Y, Wang J, Cheng C, Huang W, Lu P, et al. Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel. Nature. 2009;462:467-72 pubmed publisher
    ..Unlike aquaporin, FocA is impermeable to water but allows the passage of formate. A structural and biochemical investigation provides mechanistic insights into the channel activity of FocA. ..
  51. Hu H, Huang C, Liu H, Han Y, Yu L, Bi R. Crystallization and preliminary X-ray crystallographic studies of human cyclophilin J. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2005;61:216-8 pubmed
    ..0 A resolution and preliminary crystallographic studies have been completed. The space group of the crystals is P3(1)21, with unit-cell parameters a = b = 40.597, c = 170.732 A, alpha = beta = 90, gamma = 120 degrees. ..
  52. Ge M, Xia X, Pan X. Salt bridges in the hyperthermophilic protein Ssh10b are resilient to temperature increases. J Biol Chem. 2008;283:31690-6 pubmed publisher
    ..Implications of this finding are useful for engineering proteins with enhanced thermostability. ..
  53. Cao J, Lin Y, Guo L, Zhang A, Wei Y, Yang Y. Structure-based investigation on the binding interaction of hydroxylated polybrominated diphenyl ethers with thyroxine transport proteins. Toxicology. 2010;277:20-8 pubmed publisher
    ..Based on the binding constant obtained in this work, possibility of in vitro competitive displacement of thyroid hormones from the transport proteins by OH-PBDEs was evaluated. ..
  54. Yang L, Tian W, Zhao Y, Jin X, Weng S, Wu J, et al. Sugar interaction with metal ions. The crystal structure and Raman spectra study of SmCl3-galactitol complex. J Inorg Biochem. 2001;83:161-7 pubmed
    ..The IR and Raman spectra of Pr-, Nd- and Sm-galactitol complexes are similar, which show that the three metal ions have the same coordination mode...
  55. Ju J, Liu D, Lin G, Zhang Y, Yang J, Lu Y, et al. Beesiosides G, H, and J-N, seven new cycloartane triterpene glycosides from Beesia calthifolia. J Nat Prod. 2002;65:147-52 pubmed
  56. Zeng Q, Li X, Bartlam M, Wang G, Pang H, Rao Z. Purification, crystallization and preliminary X-ray analysis of human pirin. Acta Crystallogr D Biol Crystallogr. 2003;59:1496-8 pubmed
    ..3, b = 67.0, c = 107.3 A, alpha = beta = gamma = 90 A. It contains one molecule per asymmetric unit and diffracts to 2.0 A under cryoconditions (100 K) using an in-house Cu rotating-anode X-ray generator. ..
  57. Zhang H, Zheng B, Peng Y, Lou Z, Feng Y, Rao Z. Expression, purification and crystal structure of a truncated acylpeptide hydrolase from Aeropyrum pernix K1. Acta Biochim Biophys Sin (Shanghai). 2005;37:613-7 pubmed
  58. Cao P, Gong Y, Tang L, Leung Y, Jiang T. Crystal structure of human pyridoxal kinase. J Struct Biol. 2006;154:327-32 pubmed
    ..Moreover, HPLK possesses a more hydrophobic ATP-binding pocket. This structure will facilitate further biochemical studies and structure-based design of drugs related to pyridoxal kinase. ..
  59. Wang W, Wei L, Yang A, He T, Yuen K, Chen C, et al. Expression, crystallization and preliminary crystallographic study of human coronavirus HKU1 nonstructural protein 9. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009;65:526-8 pubmed publisher
    ..The crystals diffracted to 2.7 A resolution and belonged to space group P2(1)2(1)2, with unit-cell parameters a = 83.5, b = 88.4, c = 31.2 A, alpha = beta = gamma = 90 degrees and two molecules per asymmetric unit. ..
  60. Su Y, Zhou A, Xia X, Li W, Sun Z. Quantitative prediction of protein-protein binding affinity with a potential of mean force considering volume correction. Protein Sci. 2009;18:2550-8 pubmed publisher
    ..76, SD = 2.24 kcal/mol. Furthermore, we found that the volume correction can significantly improve the prediction ability. This approach can also promote the research on docking and protein structure prediction. ..
  61. Huang B, Wu H, Hao N, Blombach F, van der Oost J, Li X, et al. Functional study on GTP hydrolysis by the GTP-binding protein from Sulfolobus solfataricus, a member of the HflX family. J Biochem. 2010;148:103-13 pubmed publisher
    ..Together with functional studies of other mutants, we conclude that the classical view of GTP hydrolysis mechanism likely remains the same in the HflX family with a twist in the entity of the nucleophilic alignment...
  62. Zhang H, Gao Y, Li M, Chang W. Crystal structure of the PSPTO-PSP protein from Pseudomonas syringae pv. tomato str. DC3000 in complex with D-glucose. Biochem Biophys Res Commun. 2010;397:82-6 pubmed publisher
    ..It indicated that the involvement of PSPTO-PSP in essential cellular mechanism was regulated by glucose occupying this active site. ..
  63. Yuan P, Bartlam M, Lou Z, Chen S, Zhou J, He X, et al. Crystal structure of an avian influenza polymerase PA(N) reveals an endonuclease active site. Nature. 2009;458:909-13 pubmed publisher
    ..The high conservation of this endonuclease active site among influenza strains indicates that PA(N) is an important target for the design of new anti-influenza therapeutics. ..
  64. Yang H, Xie W, Xue X, Yang K, Ma J, Liang W, et al. Design of wide-spectrum inhibitors targeting coronavirus main proteases. PLoS Biol. 2005;3:e324 pubmed
    ..Further modification could rapidly lead to the discovery of a single agent with clinical potential against existing and possible future emerging CoV-related diseases. ..
  65. Zhu X, Chen C. A highly efficient approach to [4]pseudocatenanes by threefold metathesis reactions of a triptycene-based tris[2]pseudorotaxane. J Am Chem Soc. 2005;127:13158-9 pubmed
    ..The [4]pseudocatenane exhibited a novel topological structure with high symmetry, which was confirmed by the spectral data and X-ray analysis. ..
  66. Li H, Chang T, Chang W, Chen C, Liu M, Gui L, et al. Crystal structure of C-terminal desundecapeptide nitrite reductase from Achromobacter cycloclastes. Biochem Biophys Res Commun. 2005;338:1935-42 pubmed
    ..Sequence alignment showed that the bulky residue is conserved at position 331, indicating an equal importance of C-terminal segment in other copper-containing nitrite reductases...
  67. Li X, Liu X, Sun F, Gao J, Zhou H, Gao G, et al. Crystal structure of the N-terminal SH3 domain of mouse betaPIX, p21-activated kinase-interacting exchange factor. Biochem Biophys Res Commun. 2006;339:407-14 pubmed
    ..The unique large and planar hydrophobic pocket may contribute to the promiscuity of betaPIX-SH3 domain resulting in its multiple biological functions. ..
  68. Yan H, Zhang P, Wang C, Liu Z, Chang W. Two lutein molecules in LHCII have different conformations and functions: Insights into the molecular mechanism of thermal dissipation in plants. Biochem Biophys Res Commun. 2007;355:457-63 pubmed
    ..These phenomena suggest the changes in the crystal packing during dehydration might be the cause of internal conformational changes within LHCII. We proposed a conformational change related NPQ model based on the structure analysis. ..
  69. Zhang Z, Chen H, Bai H, Lai L. Molecular dynamics simulations on the oligomer-formation process of the GNNQQNY peptide from yeast prion protein Sup35. Biophys J. 2007;93:1484-92 pubmed
  70. Li E, Jiang L, Guo L, Zhang H, Che Y. Pestalachlorides A-C, antifungal metabolites from the plant endophytic fungus Pestalotiopsis adusta. Bioorg Med Chem. 2008;16:7894-9 pubmed publisher
    ..Compounds 1 and 2 displayed significant antifungal activities against three plant pathogens. ..
  71. Gong W, Li Y, Cui G, Hu J, Fang H, Jin C, et al. Solution structure and catalytic mechanism of human protein histidine phosphatase 1. Biochem J. 2009;418:337-44 pubmed publisher
    ..No similar catalytic mechanism can be found in the EzCatDB database. ..
  72. Wu B, Li P, Liu Y, Lou Z, Ding Y, Shu C, et al. 3D structure of human FK506-binding protein 52: implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex. Proc Natl Acad Sci U S A. 2004;101:8348-53 pubmed
    ..Key structural differences between FKBP52 and FKBP51, including the relative orientations of the four domains and some important residue substitutions, could account for the differential functions of FKBPs. ..
  73. Zhou M, Xu Y, Lou Z, Cole D, Li X, Liu Y, et al. Complex assembly, crystallization and preliminary X-ray crystallographic studies of MHC H-2Kd complexed with an HBV-core nonapeptide. Acta Crystallogr D Biol Crystallogr. 2004;60:1473-5 pubmed
    ..The crystals contain one complex per asymmetric unit and diffract X-rays to at least 2.06 A resolution. The structure has been solved by molecular replacement and is the first crystal structure of a peptide-H-2Kd complex. ..
  74. Wang M, Liu L, Wang Y, Wei Z, Zhang P, Li Y, et al. Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans. Biochem Biophys Res Commun. 2007;363:1050-6 pubmed
    ..Detailed structure analysis showed that the catalytic histidine and serine are both present in two conformations, which may be involved in the catalytic mechanism for acetyl transfer. ..
  75. Zhou Y, Mi W, Li L, Zhang X, Liang Y, Su X, et al. Protein preparation, crystallization and preliminary X-ray crystallographic analysis of Smu.1475c from caries pathogen Streptococcus mutans. Biochim Biophys Acta. 2006;1764:324-6 pubmed
    ..The crystal belongs to orthorhombic space group P2(1)2(1)2(1) with cell dimension of a = 68.3 angstroms, b = 105.9 angstroms, c = 136.2 angstroms. The asymmetric unit is expected to contain four molecules with solvent content of 49.4%. ..
  76. Wang R, Yin Y, Wang F, Li M, Feng J, Zhang H, et al. Crystal structures and site-directed mutagenesis of a mycothiol-dependent enzyme reveal a novel folding and molecular basis for mycothiol-mediated maleylpyruvate isomerization. J Biol Chem. 2007;282:16288-294 pubmed publisher
    ..Combining the structural and site-directed mutagenesis studies, it is proposed that this surface pocket including the metal ion and MSH moiety formed the putative catalytic center...
  77. Sun Y, Xue F, Guo Y, Ma M, Hao N, Zhang X, et al. Crystal structure of porcine reproductive and respiratory syndrome virus leader protease Nsp1alpha. J Virol. 2009;83:10931-40 pubmed publisher
    ..Compared with existing structure and function data, our results suggest that PRRSV nsp1alpha functions differently from other reported viral leader proteases, such as that of foot-and-mouth disease. ..
  78. Ding J, Wang X, Li D, Hu Y, Zhang Y, Wang D. Crystal structure of human programmed cell death 10 complexed with inositol-(1,3,4,5)-tetrakisphosphate: a novel adaptor protein involved in human cerebral cavernous malformation. Biochem Biophys Res Commun. 2010;399:587-92 pubmed publisher
    ..Two potential sites, respectively located on the two domains, are critical for recruiting different binding partners, such as germinal center kinase III proteins and the focal adhesion protein paxillin. ..
  79. Liu Z, Yan H, Wang K, Kuang T, Zhang J, Gui L, et al. Crystal structure of spinach major light-harvesting complex at 2.72 A resolution. Nature. 2004;428:287-92 pubmed
    ..The xanthophyll-cycle carotenoid at the monomer-monomer interface may be involved in the non-radiative dissipation of excessive energy, one of the photoprotective strategies that have evolved in plants. ..
  80. Pang H, Bartlam M, Zeng Q, Miyatake H, Hisano T, Miki K, et al. Crystal structure of human pirin: an iron-binding nuclear protein and transcription cofactor. J Biol Chem. 2004;279:1491-8 pubmed
    ..The structure suggests an interesting new role of iron in biology and that Pirin may be involved in novel mechanisms of gene regulation. ..
  81. Nan J, Brostromer E, Liu X, Kristensen O, Su X. Bioinformatics and structural characterization of a hypothetical protein from Streptococcus mutans: implication of antibiotic resistance. PLoS ONE. 2009;4:e7245 pubmed publisher
    ..Besides, the combination of multiple methods in this study can be used as a general approach for functional studies of a protein with unknown function. ..
  82. Ma L, Ma S, Wei F, Lin R, But P, Lee S, et al. Uncinoside A and B, two new antiviral chromone glycosides from Selaginella uncinata. Chem Pharm Bull (Tokyo). 2003;51:1264-7 pubmed
    ..9 and 1.3 microg/ml, moderate antiviral activities against parainfluenza type 3 virus (PIV 3) with IC(50) value of 13.8 and 20.8 microg/ml, respectively. ..
  83. Li H, Wang C, Chang T, Chang W, Liu M, Le Gall J, et al. pH-profile crystal structure studies of C-terminal despentapeptide nitrite reductase from Achromobacter cycloclastes. Biochem Biophys Res Commun. 2004;316:107-13 pubmed
  84. Xu Y, Liu Y, Lou Z, Qin L, Li X, Bai Z, et al. Structural basis for coronavirus-mediated membrane fusion. Crystal structure of mouse hepatitis virus spike protein fusion core. J Biol Chem. 2004;279:30514-22 pubmed
    ..Drug discovery strategies aimed at inhibiting viral entry by blocking hairpin formation may be applied to the inhibition of a number of emerging infectious diseases, including severe acute respiratory syndrome. ..
  85. Wang H, Pang H, Bartlam M, Rao Z. Crystal structure of human E1 enzyme and its complex with a substrate analog reveals the mechanism of its phosphatase/enolase activity. J Mol Biol. 2005;348:917-26 pubmed
    ..We establish a model for substrate binding to describe in detail the enzymatic reaction and the formation of the transition state, which will provide insight into the reaction mechanisms of other enzymes in the same family. ..
  86. Duan M, Ren H, Mao P, Wei C, Liang Y, Li Y, et al. Crystallization and preliminary X-ray analysis of the C-terminal WRKY domain of Arabidopsis thaliana WRKY1 transcription factor. Biochim Biophys Acta. 2005;1750:14-6 pubmed
    ..The preliminary X-ray analysis was undertaken. The crystal diffracted to 2.50 A resolution in-house and belongs to space group P2(1) with unit-cell parameters a=64.10 A, b=34.88 A, c=114.72 A, beta=90.49 degrees . ..
  87. Wei Z, Xue Y, Xu H, Gong W. Crystal structure of the C-terminal domain of S.cerevisiae eIF5. J Mol Biol. 2006;359:1-9 pubmed
    ..The structure of eIF5-CTD provides useful information in understanding the mechanism of the MFC assembly. ..
  88. Yu Y, Liang Y, Brostromer E, Quan J, Panjikar S, Dong Y, et al. A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis. J Biol Chem. 2006;281:36929-36 pubmed
    ..The detailed structural studies allowed us to propose a zinc-activated nucleophilic attack mechanism for the hydrolysis reaction catalyzed by the enzyme. ..
  89. Zhou Y, Li L, Yang C, Liang Y, Su X. Preliminary X-ray crystallographic analysis of SMU.573, a putative sugar kinase from Streptococcus mutans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008;64:47-9 pubmed
    ..5 A resolution diffraction data set was collected using an in-house chromium radiation source. The crystals belong to space group I4, with unit-cell parameters a = b = 96.53, c = 56.26 A, alpha = beta = gamma = 90 degrees. ..
  90. Zhang Y, Ju J, Peng H, Gao F, Zhou C, Zeng Y, et al. Biochemical and structural characterization of the intracellular mannanase AaManA of Alicyclobacillus acidocaldarius reveals a novel glycoside hydrolase family belonging to clan GH-A. J Biol Chem. 2008;283:31551-8 pubmed publisher
    ..Based on sequence comparisons, the enzyme was assigned to a new glycoside hydrolase family (GH113) that belongs to clan GH-A. ..
  91. Yang X, Morita M, Wang H, Suzuki T, Yang W, Luo Y, et al. Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity. Nucleic Acids Res. 2008;36:6872-81 pubmed publisher
    ..The results reveal the suppressive role of BTG2 in the regulation of CAF1 deadenylase activity. Our study provides insights into the formation of the BTG2-CAF1 complex and the potential role of BTG2 in the regulation of CAF1. ..
  92. Li G, Liu X, Nan J, Brostromer E, Li L, Su X. Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans. Biochem Biophys Res Commun. 2009;381:429-33 pubmed publisher
    ..The open-closed conformational changes of the active site, through the movements of the alpha-helix lid and the arginine residues are important for substrate binding and catalysis. ..